QSAR study on benzenesulfonamide ionization constant : physicochemical approach using surface tension

نویسندگان

چکیده

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Modelling Surface Tension Dominated Multiphase Flows Using the Vof Approach

Low-capillary number or surface tension dominated flows are found in a number applications, ranging from small scale microfluidics up to larger scale analysis of microgravity sloshing. This paper evaluates the possibility of modelling of surface tension dominated multiphase flows using an Eulerian volume-of-fluid (VOF) approach with high-resolution surface capturing. With the aim of improved st...

متن کامل

Surface Tension Prediction of Hydrocarbon Mixtures Using Artificial Neural Network

In this study, artificial neural network was used to predict the surface tension of 20 hydrocarbon mixtures. Experimental data was divided into two parts (70% for training and 30% for testing). Optimal configuration of the network was obtained with minimization of prediction error on testing data. The accuracy of our proposed model was compared with four well-known empirical equations. The arti...

متن کامل

Surface Tension and the Cosmological Constant * Typeset Using Revt E X

The astronomically observed value of the cosmological constant λ is small but non-zero. This raises two questions together known as the cosmologi-cal constant problem a) why is λ so nearly zero? b) why is λ not exactly zero? Sorkin has proposed that b) can be naturally explained as a 1/ √ N fluctuation by invoking discreteness of spacetime at the Planck scale due to quantum gravity. In this pap...

متن کامل

On the Equivalence of Schemes for Simulating Bilayers at Constant Surface Tension.

Lipid bilayers are simulated using flexible simulation cells in order to allow for relaxations in area per lipid as bilayer content and temperature are varied. We develop a suite of Monte Carlo (MC) moves designed to generate constant surface tension γ and constant pressure P and find that the NPT partition function proposed by Attard [J. Chem. Phys.1995, 103, 9884-9885] leads to an NPγT partit...

متن کامل

Constant surface tension simulations of lipid bilayers: The sensitivity of surface areas and compressibilities

Eight molecular dynamics simulations of a hydrated lipid bilayer have been carried out differing only in the applied surface tension, g, defining the boundary conditions of the periodic cell. The calculated surface area per molecule and deuterium order parameter profile are found to depend strongly on g. We present several methods to calculate the area compressibility modulus, KA , from the sim...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

ژورنال

عنوان ژورنال: Arkivoc

سال: 2005

ISSN: 1551-7012

DOI: 10.3998/ark.5550190.0006.e06